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Home > Pyridines > 132686-74-9
132686-74-9 | 5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, 6,11-DIHYDRO-11-METHYL-
CAS No: 132686-74-9 Catalog No: AG0010ZI MDL No:
Product Description
Catalog Number:
AG0010ZI
Chemical Name:
5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, 6,11-DIHYDRO-11-METHYL-
CAS Number:
132686-74-9
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
11-methyl-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
InChI:
InChI=1S/C13H11N3O/c1-16-11-7-3-2-6-10(11)15-13(17)9-5-4-8-14-12(9)16/h2-8H,1H3,(H,15,17)
InChI Key:
JAZJMDYVHIJMJH-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2[nH]c(=O)c2c1nccc2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Novel non-nucleoside inhibitors of HIV-1 reverse transcriptase. 1. Tricyclic pyridobenzo- and dipyridodiazepinones. | Journal of medicinal chemistry 19910701 |
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